Graphene is a rapidly rising star on the horizon of materials science and condensed-matter physics. This strictly two-dimensional material exhibits exceptionally high crystal and electronic quality, and, despite its short history, has already revealed a cornucopia of new physics and potential applications, which are briefly discussed here. Whereas one can be certain of the realness of applications only when commercial products appear, graphene no longer requires any further proof of its importance in terms of fundamental physics. Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena, some of which are unobservable in high-energy physics, can now be mimicked and tested in table-top experiments. More generally, graphene represents a conceptually new class of materials that are only one atom thick, and, on this basis, offers new inroads into low-dimensional physics that has never ceased to surprise and continues to provide a fertile ground for applications.

The rise of graphene

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

We measured the elastic properties and intrinsic breaking strength of free-standing monolayer graphene membranes by nanoindentation in an atomic force microscope. The force-displacement behavior is interpreted within a framework of nonlinear elastic stress-strain response, and yields second- and third-order elastic stiffnesses of 340 newtons per meter (N m(-1)) and -690 Nm(-1), respectively. The breaking strength is 42 N m(-1) and represents the intrinsic strength of a defect-free sheet. These quantities correspond to a Young's modulus of E = 1.0 terapascals, third-order elastic stiffness of D = -2.0 terapascals, and intrinsic strength of sigma(int) = 130 gigapascals for bulk graphite. These experiments establish graphene as the strongest material ever measured, and show that atomically perfect nanoscale materials can be mechanically tested to deformations well beyond the linear regime.

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Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene

Calculated proton affinities (PAs) and gas phase basicities (GPBs) are reported for diamantane (C14H20), triamantane (C18H24), 'globular and planar' isomers of tetramantane (C22H28) and pentamantane (C26H32), and for one 'globular' isomer of each of the larger diamondoid molecules: C51H58, C78H72, C102H90, and C131H116. Assuming CxHy as the parent diamondoid molecule, we calculated PA and GPB values for a variety of CxHy+1+ isomers, as well as for the reaction CxHy + H+ yielding CxHy-1+ + H2(g); the latter is slightly favored based on GPB values for diamantane through pentamantane, but less favored compared to certain CxHy+1+ isomers of C51H58, C102H90, and C131H116. Indeed, the GPB values of C51H58, C102H90, and C131H116 classifiy them as 'superbases'. Calculations that had the initial location of the proton in an interstitial site inside the diamondoid molecule always showed the H having moved to the outside of the diamondoid molecule; for this reason, we focused on testing a variety of initial configurations with the proton placed in an initial position on the surface. Additional protons were added to determine the limiting number that could be, per these calculations, taken up by the diamondoid molecules and the maximum number of protons are shown in parentheses: C14H20(2), C18H24(3), C22H28(3), C26H32(3), C51H58(4). Bader charge distributions obtained for CxHy+1+ isomers (for diamantane through pentamantane) suggest that the positive charge is essentially completely delocalized over all the H atoms. NMR spectra were calculated for different isomers of C14H19+, and compared to the published NMR spectrum for when diamantane was mixed with magic acid and H2(g) was produced.

Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116.

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Nanoscale Gap Fabrication and Integration of Carbon Nanotubes by Micromachining

Theunderstandingofthemetalandtransitionmetal dichalcogenide (TMD) interface is critical for future electronic device technologies based on this new class of two-dimensional semicon- ductors. Here, we investigate the initial growth of nanometer-thick Pd, Au, and Ag films on monolayer MoS2. Distinct growth morphol- ogiesareidentifiedbyatomic forcemicroscopy:Pdformsauniform contact,Auclustersintonanostructures, andAgformsrandomlydistributed islandson MoS2. The formation of these different interfaces is elucidated by large-scale spin-polarized density functional theory calculations. Using Raman spectroscopy, we find that the interface homogeneity shows characteristic Raman shifts in E2g and A1g modes. Interestingly, we show that insertion of graphene between metal and MoS2 can effectively decouple MoS2 from the perturbations imparted by metal contacts (e.g., strain), while maintaining an effective electronic coupling between metal contact and MoS2, suggesting that graphene can act as a conductive buffer layer in TMD electronics.

Metal Contacts on Physical Vapor

Retraction to: High-Volumetric Performance Aligned Nano-Porous Microwave Exfoliated Graphite Oxide-based Electrochemical Capacitors (Advanced Materials, (2013), 25, 35, (4879-4885), 10.1002/adma.201301243)

One dimensional graphene nanostructures are one of the most promising materials for next generation electronics. Here, the chemical vapor depostion growth of graphene nanoribbons (GNRs) and graphene nanospears (GNSs) on a copper surface is reported. The growth of GNRs and GNSs is enabled by a vapor–liquid–solid (VLS) mechanism guided by on‐surface propagation of a liquid Cu‐Si catalyst particle. The slow lateral growth and the fast VLS vertical growth give rise to spear head‐shaped GNSs. In situ observations further confirm that the lateral graphene growth can be completely suppressed and thus GNRs are grown. The synthesized field effect transistor (FET) devices show that the GNRs and GNSs have high carrier mobilities of ≈2000 cm2 V−1 s−1. Both FET and Kelvin probe force microscopy measurements confirm that the Fermi levels of the synthesize GNSs shift downward from the wide part to the tip is strongly p‐doped. These findings yield key insights into the growth mechanism of graphene and open a door for achieving a facile and scalable method of synthesizing free standing GNRs and GNSs and their applications, such as the Fermi‐level tunable devices.

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Rodney S. Ruoff

Papers

Proton affinity and gas phase basicity of diamandoid molecules: diamantane to C131H116.

Nanoscale Gap Fabrication and Integration of Carbon Nanotubes by Micromachining

Metal Contacts on Physical Vapor

Retraction to: High-Volumetric Performance Aligned Nano-Porous Microwave Exfoliated Graphite Oxide-based Electrochemical Capacitors (Advanced Materials, (2013), 25, 35, (4879-4885), 10.1002/adma.201301243)

Bottom‐Up Growth of Graphene Nanospears and Nanoribbons